6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole

C66H104N10S — CID 159279884

IUPAC6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole
SMILESCN(C)c1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cn1cnc(C(C)(C)C)n1
InChIInChI=1S/C11H18N2.4C10H15N.C8H13NS.C7H13N3/c1-11(2,3)10-7-6-9(8-12-10)13(4)5;4*1-8-5-6-9(11-7-8)10(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-8-5-10(4)9-6/h6-8H,1-5H3;4*5-7H,1-4H3;2*5H,1-4H3
InChIKeyKYTWANVIWQUXRW-UHFFFAOYSA-N
MW1069.69 g/mol
LogP17.06
Rot. Bonds1

About 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole

6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole (PubChem CID 159279884) has the molecular formula C66H104N10S and a molecular weight of 1069.69 g/mol. Its IUPAC name is 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole
PubChem CID159279884
Molecular FormulaC66H104N10S
Molecular Weight1069.69 g/mol
Exact Mass1068.82
IUPAC Name6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole
SMILESCN(C)c1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cn1cnc(C(C)(C)C)n1
InChIInChI=1S/C11H18N2.4C10H15N.C8H13NS.C7H13N3/c1-11(2,3)10-7-6-9(8-12-10)13(4)5;4*1-8-5-6-9(11-7-8)10(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-8-5-10(4)9-6/h6-8H,1-5H3;4*5-7H,1-4H3;2*5H,1-4H3
InChIKeyKYTWANVIWQUXRW-UHFFFAOYSA-N
XLogP17.06
TPSA111.29 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.69
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
CID 75441147
3-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-4-propyl-6-thiazol-2-yl-pyridazine
CID 10429863
5-[4-[4-[5-[(4-Fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-methyl-1,3-thiazole
CID 118033616
5-[4-[4-[5-[(1R)-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-methyl-1,3-thiazole
CID 118034478
5-[4-[4-[5-(4-Fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-methyl-1,3-thiazole
CID 130243008
2-(1-Azabicyclo[2.2.2]octan-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazole
CID 152555143
2-Tert-butyl-5-(1,1-difluoroethyl)pyrazine;2-tert-butyl-5-(1,1-difluoroethyl)pyridine;5-tert-butyl-2-(1,1-difluoroethyl)pyridine;5-tert-butyl-2-(1,1-difluoroethyl)pyrimidine;5-tert-butyl-2-(1,1-difluoroethyl)-1,3-thiazole
CID 157735221
2-Pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 58416082
4-Methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
CID 58416137
4-Methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 58416164
2-[3-[5-[4-[2-(4-Pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 123502105
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-thiazole
CID 141123565

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole?
The IUPAC name of 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole (CID 159279884) is 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole is CN(C)c1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cn1cnc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole?
The InChIKey is KYTWANVIWQUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.4C10H15N.C8H13NS.C7H13N3/c1-11(2,3)10-7-6-9(8-12-10)13(4)5;4*1-8-5-6-9(11-7-8)10(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-8-5-10(4)9-6/h6-8H,1-5H3;4*5-7H,1-4H3;2*5H,1-4H3.
What are the key properties of 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole?
6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole has a molecular weight of 1069.69 g/mol, XLogP of 17.06, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,N-dimethylpyridin-3-amine;tetrakis(2-tert-butyl-5-methylpyridine);2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 159279884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).